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Target
Cruzipain
Ligand
BDBM50187499
Substrate
n/a
Meas. Tech.
ChEMBL_1590315 (CHEMBL3830354)
IC50
111000±n/a nM
Citation
 Silva-Júnior, EF; Silva, EPS; França, PHB; Silva, JPN; Barreto, EO; Silva, EB; Ferreira, RS; Gatto, CC; Moreira, DRM; Siqueira-Neto, JL; Mendonça-Júnior, FJB; Lima, MCA; Bortoluzzi, JH; Scotti, MT; Scotti, L; Meneghetti, MR; Aquino, TM; Araújo-Júnior, JX Design, synthesis, molecular docking and biological evaluation of thiophen-2-iminothiazolidine derivatives for use against Trypanosoma cruzi. Bioorg Med Chem 24:4228-4240 (2016) [PubMed]  Article 
Target
Name:
Cruzipain
Synonyms:
CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase
Type:
Protein
Mol. Mass.:
49831.41
Organism:
Trypanosoma cruzi
Description:
P25779
Residue:
467
Sequence:
MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLSVFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEVVGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSYFVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVRSSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
  
Inhibitor
Name:
BDBM50187499
Synonyms:
CHEMBL3827125
Type:
Small organic molecule
Emp. Form.:
C20H24N2O5S2
Mol. Mass.:
436.545
SMILES:
CC(C)OC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C
Structure:
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